| SpectraBase Compound ID | 6Knu66ZjV9s |
|---|---|
| InChI | InChI=1S/C15H19F3O2/c1-2-3-4-5-6-10-20-14(19)12-8-7-9-13(11-12)15(16,17)18/h7-9,11H,2-6,10H2,1H3 |
| InChIKey | GOWSTHVPCPHXRZ-UHFFFAOYSA-N |
| Mol Weight | 288.31 g/mol |
| Molecular Formula | C15H19F3O2 |
| Exact Mass | 288.133714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1iet6SJLKga |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid,heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.133714339 u |
| Formula | C15H19F3O2 |
| InChI | InChI=1S/C15H19F3O2/c1-2-3-4-5-6-10-20-14(19)12-8-7-9-13(11-12)15(16,17)18/h7-9,11H,2-6,10H2,1H3 |
| InChIKey | GOWSTHVPCPHXRZ-UHFFFAOYSA-N |
| Molecular Weight | 288.310 g/mol |
| SMILES | C1=CC(C(OCCCCCCC)=O)=CC(=C1)C(F)(F)F |